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Guevara Vela, Jose Manuel josemanuel.guevara@upm.es

CIENCIA DE MATERIALES / Universidad Politécnica de Madrid

Publications

A QCT View of the Interplay between Hydrogen Bonds and Aromaticity in Small CHON Derivatives

  • Gallegos, Miguel
  • Barrena-Espes, Daniel
  • Manuel Guevara-Vela, Jose
  • Rocha-Rinza, Tomas
  • Martin Pendas, Angel

MOLECULES - 1/9/2022

10.3390/molecules27186039 View at source

  • ISSN 14203049

Accurate prediction of the solid-state region of the Ni-Al phase diagram including configurational and vibrational entropy and magnetic effects

  • Shao, W
  • Guevara-Vela, JM
  • Fernández-Caballero, A
  • Liu, S
  • LLorca, J

Acta Materialia - 1/7/2023

10.1016/j.actamat.2023.118962 View at source

  • EISSN 1873-2453
  • ISSN 1359-6454

An unexpected bridge between chemical bonding indicators and electrical conductivity through the localization tensor

  • Martin Pendas, Angel
  • Manuel Guevara-Vela, Jose
  • Menendez Crespo, Daniel
  • Costales, Aurora
  • Francisco, Evelio

Physical Chemistry Chemical Physics (p. 1790-1797) - 1/1/2017

10.1039/c6cp07617c View at source

  • ISSN 14639076

Aqueous microsolvation of bivalent Cu, Zn and Cd. Quantum chemical topology analyses of cooperativity, anticooperativity and covalency

  • Bahena-Mendez, Cristian E
  • Guevara-Vela, Jose Manuel
  • Rocha-Rinza, Tomas

Journal Of Molecular Liquids - 1/3/2024

10.1016/j.molliq.2024.124068 View at source

  • ISSN 01677322

Atoms in molecules in real space: a fertile field for chemical bonding

  • Martin Pendas, Angel
  • Francisco, Evelio
  • Suarez, Dimas
  • Costales, Aurora
  • Diaz, Natalia
  • Munarriz, Julen
  • Rocha-Rinza, Tomas
  • Guevara-Vela, Jose Manuel
... View more Collapse

Physical Chemistry Chemical Physics (p. 10231-10262) - 15/3/2023

10.1039/d2cp05540f View at source

  • ISSN 14639076

Binding Energy Partition of Promising IRAK-4 Inhibitor (Zimlovisertib) for the Treatment of COVID-19 Pneumonia

  • Zapata-Acevedo, Cesar A
  • Manuel Guevara-Vela, Jose
  • Popelier, Paul L A
  • Rocha-Rinza, Tomas

Chemphyschem - 16/12/2022

10.1002/cphc.202200855 View at source

  • ISSN 14394235

Chemical Bonding in Excited States: Energy Transfer and Charge Redistribution from a Real Space Perspective

  • Jara-Cortes, Jesus
  • Manuel Guevara-Vela, Jose
  • Martin Pendas, Angel
  • Hernandez-Trujillo, Jesus

Journal Of Computational Chemistry (p. 957-970) - 15/5/2017

10.1002/jcc.24769 View at source

  • ISSN 01928651

Computation of photovoltaic and stability properties of hybrid organic-inorganic perovskites via convolutional neural networks

  • Alexander Aristizabal-Ferreira, Victor
  • Manuel Guevara-Vela, Jose
  • Sauza-de la Vega, Arturo
  • Martin Pendas, Angel
  • Fuentes-Pineda, Gibran
  • Rocha-Rinza, Tomas

Theoretical Chemistry Accounts - 1/4/2022

10.1007/s00214-022-02875-9 View at source

  • ISSN 1432881X

Continuous intercalation compound fibers of bromine wires and aligned CNTs for high-performance conductors

  • Madrona, C
  • Hong, SK
  • Lee, D
  • Garcia-Perez, J
  • Guevara-Vela, JM
  • Gavito, RB
  • Mikhalchan, A
  • Llorca, J
  • Ku, BC
  • Granados, D
  • Hwang, JY
  • Vilatela, JJ
... View more Collapse

Carbon (p. 211-218) - 1/1/2023

10.1016/j.carbon.2022.12.041 View at source

  • ISSN 00086223

Cooperative and anticooperative effects in resonance assisted hydrogen bonds in merged structures of malondialdehyde

  • Romero-Montalvo, Eduardo
  • Manuel Guevara-Vela, Jose
  • Costales, Aurora
  • Martin Pendas, Angel
  • Rocha-Rinza, Tomas

Physical Chemistry Chemical Physics (p. 97-107) - 7/1/2017

10.1039/c6cp04877c View at source

  • ISSN 14639076

This researcher has no books.

Applications of the quantum theory of atoms in molecules and the interacting quantum atoms methods to the study of hydrogen bonds

  • Guevara-Vela JM
  • Fernández-Alarcón A
  • Rocha-Rinza T

Advances In Quantum Chemical Topology Beyond Qtaim (p. 431-468) - 1/1/2022

10.1016/b978-0-323-90891-7.00010-4 View at source

Emergent Scalar and Vector Fields in Quantum Chemical Topology

  • Martin Pendas, A
  • Francisco, E
  • Gallo Bueno, A
  • Guevara Vela, J M
  • Costales, A

APPLICATIONS OF TOPOLOGICAL METHODS IN MOLECULAR CHEMISTRY (p. 131-150) - 1/1/2016

10.1007/978-3-319-29022-5_6 View at source

  • ISSN 25424491

This researcher has no conferences.

This researcher has no working papers.

This researcher has no technical reports.

Borde de Granos en microestructuras Hexagonales: Enlace de procesamiento y propiedades en aleaciones estructurales ligeras

  • GUEVARA VELA, JOSE MANUEL (Miembro del equipo de trabajo)
  • LLORCA MARTINEZ, FCO. JAVIER (Investigador principal (IP))
  • OROZCO CABALLERO, ALBERTO (Participante)
  • ROMERO OLLEROS, IGNACIO (Participante)

Period: 01-01-2019 - 30-04-2022

Type of funding: National

Amount of funding: 72600,00 Euros.

  • iMarina

This researcher has no supervised thesis.

This researcher has no patents or software licenses.

Last data update: 2/11/26 7:35 PM